General Information of the Compound
| Compound ID |
CP0084902
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| Compound Name |
6-[5-(Adamant-1-yl)-4-[(2-methoxyethoxy)methoxy]-2-methylphenyl]-5-chloro-2-naphthoic acid
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| Structure |
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| Formula |
C32H35ClO5
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| Molecular Weight |
535.08
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| Canonical SMILES |
COCCOCOc1cc(C)c(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1Cl)C(O)=O
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| InChI |
InChI=1S/C32H35ClO5/c1-19-9-29(38-18-37-8-7-36-2)28(32-15-20-10-21(16-32)12-22(11-20)17-32)14-27(19)26-6-3-23-13-24(31(34)35)4-5-25(23)30(26)33/h3-6,9,13-14,20-22H,7-8,10-12,15-18H2,1-2H3,(H,34,35)
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| InChIKey |
GTQRCNNQKSSSCI-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound